4-methoxy-3-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-4-yl]benzonitrile - Moligand™ , Inhibitor of TRAF2 and NCK interacting kinase, CAS No.M609349, Inhibitor of TRAF2 and NCK interacting kinase

CAS: M609349 Cat. No.: M609349 PubChem CID: 71540619

GRADE & PURITY Moligand™

Synonyms

compound 5

Storage

Room temperature

Specifications

Synonyms

compound 5

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of TRAF2 and NCK interacting kinase

Names and Identifiers

• Canonical Smiles: COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(c1)c1cc(C#N)ccc1OC
• IUPAC Name: 4-methoxy-3-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-4-yl]benzonitrile
• InChIKey: GOMSKBLQVUFHHS-UHFFFAOYSA-N
• INCHI: 1S/C25H27N5O2/c1-29-10-12-30(13-11-29)22-6-5-20(16-24(22)32-3)28-25-15-19(8-9-27-25)21-14-18(17-26)4-7-23(21)31-2/h4-9,14-16H,10-13H2,1-3H3,(H,27,28)
• Isomeric SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=C3)C4=C(C=CC(=C4)C#N)OC)OC
• PubChem CID: 71540619

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: Phenylpyridines N-arylpiperazines Aminophenyl ethers Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Benzonitriles Dialkylarylamines Alkyl aryl ethers N-methylpiperazines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Trialkylamines Azacyclic compounds Nitriles Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Tertiary aliphatic/aromatic amine - Anisole - Phenol ether - Benzonitrile - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - N-methylpiperazine - N-alkylpiperazine - Pyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TNIK Tchem TRAF2 and NCK-interacting protein kinase (2 Activities)

Discover Target: TNIK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action